(E,2R)-11,11-dimethyl-10-oxidanylidene-2-(phenylcarbonyloxy)-2-(thiolan-2-yl)pentadec-8-enoic acid

Systemtic Name: (E,2R)-11,11-dimethyl-10-oxidanylidene-2-(phenylcarbonyloxy)-2-(thiolan-2-yl)pentadec-8-enoic acid Openeye Name: (E,2R)-2-benzoyloxy-11,11-dimethyl-10-oxo-2-tetrahydrothiophen-2-yl-pentadec-8-enoic acid CAS Name: (E,2R)-2-benzoyloxy-11,11-dimethyl-10-oxo-2-(2-thiolanyl)-8-pentadecenoic acid IUPAC Name: (E,2R)-2-benzoyloxy-11,11-dimethyl-10-oxo-2-(thiolan-2-yl)pentadec-8-enoic acid Traditional Name: (E,2R)-2-benzoyloxy-10-keto-11,11-dimethyl-2-tetrahydrothiophen-2-yl-pentadec-8-enoic acid Formula: C28H40O5S MolecularWeight: 488.6792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)C=CCCCCCC(C1CCCS1)(C(=O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C)(C)C(=O)/C=C/CCCCC[C@](C1CCCS1)(C(=O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H40O5S/c1-4-5-19-27(2,3)23(29)17-12-7-6-8-13-20-28(26(31)32,24-18-14-21-34-24)33-25(30)22-15-10-9-11-16-22/h9-12,15-17,24H,4-8,13-14,18-21H2,1-3H3,(H,31,32)/b17-12+/t24?,28-/m0/s1